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Geometry for CH3CHF2 (Ethane, 1,1-difluoro-) 1A' CS

1910171554
InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3 INChIKey=NPNPZTNLOVBDOC-UHFFFAOYSA-N

CID/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3298 0.1730 0.0000   0.1958 0.2654 0.1730
C2 -0.9167 1.0275 0.0000   -0.5441 -0.7377 1.0275
H3 1.2463 0.7570 0.0000   0.7397 1.0030 0.7570
F4 0.3298 -0.6468 1.1266   1.1025 -0.4033 -0.6468
F5 0.3298 -0.6468 -1.1266   -0.7109 0.9342 -0.6468
H6 -1.7892 0.3746 0.0000   -1.0620 -1.4399 0.3746
H7 -0.9363 1.6539 0.8905   0.1609 -1.2821 1.6539
H8 -0.9363 1.6539 -0.8905   -1.2724 -0.2250 1.6539
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.5113 1.0867 1.3934 1.3934 2.1286 2.1423 2.1423
C2 1.5113 2.1798 2.3720 2.3720 1.0898 1.0889 1.0889
H3 1.0867 2.1798 2.0199 2.0199 3.0595 2.5221 2.5221
F4 1.3934 2.3720 2.0199 2.2533 2.6082 2.6367 3.3114
F5 1.3934 2.3720 2.0199 2.2533 2.6082 3.3114 2.6367
H6 2.1286 1.0898 3.0595 2.6082 2.6082 1.7769 1.7769
H7 2.1423 1.0889 2.5221 2.6367 3.3114 1.7769 1.7810
H8 2.1423 1.0889 2.5221 3.3114 2.6367 1.7769 1.7810
Maximum atom distance is 3.3114Å between atoms F4 and H8.
picture of Ethane, 1,1-difluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 F4 109.432 C2 C1 F5 109.432
F4 C1 F5 107.916
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 108.757 C1 C2 H7 109.885
C1 C2 H8 109.885 C2 C1 H3 113.062
H3 C1 F4 108.432 H3 C1 F5 108.432
H6 C2 H7 109.282 H6 C2 H8 109.282
H7 C2 H8 109.729

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.